SCHEMBL9944468

SCHEMBL9944468

CC(C)(C)CCN1CCn2ncnc2C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.35
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
DPP4 P27487 1/20 0.34
SLC2A2 P11168 4/20 0.33
LRRK2 Q5S007 2/20 0.31
NOTUM Q6P988 1/20 0.31
HRH2 P25021 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17718790 0.84 SLC2A1 (0.36) SLC2A1PIK3CAMTORDPP4SLC2A2
SCHEMBL17722607 0.82 SLC2A1 (0.39) SLC2A1DPP4SLC2A2LRRK2NOTUM
SCHEMBL9946331 0.79 SLC2A1 (0.35) SLC2A1SLC2A2
SCHEMBL25159823 0.77 ALDH1A1 (0.41) SLC2A1
SCHEMBL23085724 0.74 PIK3CD (0.41) SLC2A1PIK3CAMTORDPP4SLC2A2
SCHEMBL20866529 0.73 DPP4 (0.47) DPP4NOTUM
SCHEMBL4400829 0.71 DPP4 (0.32) DPP4NOTUM
SCHEMBL19017302 0.70 DPP4 (0.32) DPP4NOTUM
SCHEMBL26383543 0.69 DPP4 (0.32) DPP4NOTUM
SCHEMBL9944473 0.69 DPP4 (0.39) DPP4NOTUM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149683-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120149683-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP3, DPP7 SLC2A1 91/4885PIK3CA 1219/4885MTOR 3276/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.